2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C16H27NOS — CID 107030769

IUPAC2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)CC1(CS)CC1
InChIInChI=1S/C16H27NOS/c1-14(2)11-4-5-15(3,8-11)13(14)17-12(18)9-16(10-19)6-7-16/h11,13,19H,4-10H2,1-3H3,(H,17,18)
InChIKeyQVVAEKYMTGGFPF-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.42
Rot. Bonds4

About 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 107030769) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID107030769
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)CC1(CS)CC1
InChIInChI=1S/C16H27NOS/c1-14(2)11-4-5-15(3,8-11)13(14)17-12(18)9-16(10-19)6-7-16/h11,13,19H,4-10H2,1-3H3,(H,17,18)
InChIKeyQVVAEKYMTGGFPF-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 64676714
2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 79270895
N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021547
1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 113239651
5-amino-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide
CID 104685167
3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide
CID 81079148
(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 78995759
2-hydroxyethyl N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345831
(2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945320
2-amino-3,3,3-trifluoro-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 79811133
N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025065
3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 106112965

Frequently Asked Questions

What is the IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 107030769) is 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC12CCC(C1)C(C)(C)C2NC(=O)CC1(CS)CC1.
What is the InChIKey of 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is QVVAEKYMTGGFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-14(2)11-4-5-15(3,8-11)13(14)17-12(18)9-16(10-19)6-7-16/h11,13,19H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 281.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 107030769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).