3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine

C9H16ClNS — CID 106437912

IUPAC3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
SMILESCC(=CCl)CNCC1CCCS1
InChIInChI=1S/C9H16ClNS/c1-8(5-10)6-11-7-9-3-2-4-12-9/h5,9,11H,2-4,6-7H2,1H3
InChIKeyWTCDRYXADJFUKR-UHFFFAOYSA-N
MW205.75 g/mol
LogP2.61
Rot. Bonds4

About 3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine

3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 106437912) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
PubChem CID106437912
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC Name3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
SMILESCC(=CCl)CNCC1CCCS1
InChIInChI=1S/C9H16ClNS/c1-8(5-10)6-11-7-9-3-2-4-12-9/h5,9,11H,2-4,6-7H2,1H3
InChIKeyWTCDRYXADJFUKR-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-N-(thian-2-ylmethyl)prop-2-en-1-amine
CID 106437913
3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274
(E)-3-chloro-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 107900103
ethyl 2-(thiolan-2-ylmethylamino)acetate
CID 80585602
N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide
CID 80584523
(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
CID 106932334
N-propyl-2-(thiolan-2-ylmethylamino)acetamide
CID 80585576
methyl 2-(thian-2-ylmethylamino)acetate
CID 80600319
methyl 2-methyl-4-(thiolan-2-ylmethylamino)but-2-enoate
CID 103256939
3-fluoro-N-(thiolan-2-ylmethyl)propan-1-amine
CID 81106470
N-ethyl-2-(thian-2-ylmethylamino)acetamide
CID 80600619
2,3-dimethyl-4-oxo-4-(thiolan-2-ylmethylamino)but-2-enoic acid
CID 80585227

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine (CID 106437912) is 3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine is CC(=CCl)CNCC1CCCS1.
What is the InChIKey of 3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is WTCDRYXADJFUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNS/c1-8(5-10)6-11-7-9-3-2-4-12-9/h5,9,11H,2-4,6-7H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine?
3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 205.75 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 106437912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).