2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide

C10H18N2OS — CID 107132959

IUPAC2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide
SMILESNC(=O)C(NCC1CC1)C1CCSC1
InChIInChI=1S/C10H18N2OS/c11-10(13)9(8-3-4-14-6-8)12-5-7-1-2-7/h7-9,12H,1-6H2,(H2,11,13)
InChIKeyXRUUMLGRGXELRE-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.59
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide

2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide (PubChem CID 107132959) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide
PubChem CID107132959
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide
SMILESNC(=O)C(NCC1CC1)C1CCSC1
InChIInChI=1S/C10H18N2OS/c11-10(13)9(8-3-4-14-6-8)12-5-7-1-2-7/h7-9,12H,1-6H2,(H2,11,13)
InChIKeyXRUUMLGRGXELRE-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
2-(thiolan-3-ylmethylamino)butanamide
CID 107295791
ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate
CID 107133046
methyl 2-(thiolan-3-yl)propanoate
CID 176838406
methyl 3-hydroxy-2-(thiolan-3-yl)propanoate
CID 117238513
ethyl 2-(thiolan-3-ylmethylamino)propanoate
CID 107131969
2-cyclopropyl-1-(thiolan-3-yl)ethanamine
CID 105152914
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
methyl 3-(thiolan-3-yl)butanoate
CID 176838272
N-butyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107295770
methyl 4-hydroxy-3-methyl-4-(thiolan-3-yl)butanoate
CID 107133426

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide (CID 107132959) is 2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide is NC(=O)C(NCC1CC1)C1CCSC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide?
The InChIKey is XRUUMLGRGXELRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c11-10(13)9(8-3-4-14-6-8)12-5-7-1-2-7/h7-9,12H,1-6H2,(H2,11,13).
What are the key properties of 2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide?
2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide has a molecular weight of 214.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide is sourced from PubChem (CID 107132959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).