4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine

C12H17N5O2S2 — CID 52874103

IUPAC4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESNS(=O)(=O)NC[C@H]1CCCN(c2ncnc3ccsc23)C1
InChIInChI=1S/C12H17N5O2S2/c13-21(18,19)16-6-9-2-1-4-17(7-9)12-11-10(3-5-20-11)14-8-15-12/h3,5,8-9,16H,1-2,4,6-7H2,(H2,13,18,19)/t9-/m1/s1
InChIKeyGCDVWSXMDBHTFJ-SECBINFHSA-N
MW327.44 g/mol
LogP0.70
Rot. Bonds4

About 4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine

4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 52874103) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID52874103
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC Name4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESNS(=O)(=O)NC[C@H]1CCCN(c2ncnc3ccsc23)C1
InChIInChI=1S/C12H17N5O2S2/c13-21(18,19)16-6-9-2-1-4-17(7-9)12-11-10(3-5-20-11)14-8-15-12/h3,5,8-9,16H,1-2,4,6-7H2,(H2,13,18,19)/t9-/m1/s1
InChIKeyGCDVWSXMDBHTFJ-SECBINFHSA-N
XLogP0.70
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]formamide
CID 143478647
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783787
4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783789
N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62593365
2-(4-aminopiperidin-1-yl)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 75496003
N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 142582779
6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline
CID 159739862
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588139
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62587427
2-(6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)acetic acid
CID 74232473
4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 142582643

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine (CID 52874103) is 4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine is NS(=O)(=O)NC[C@H]1CCCN(c2ncnc3ccsc23)C1.
What is the InChIKey of 4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is GCDVWSXMDBHTFJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c13-21(18,19)16-6-9-2-1-4-17(7-9)12-11-10(3-5-20-11)14-8-15-12/h3,5,8-9,16H,1-2,4,6-7H2,(H2,13,18,19)/t9-/m1/s1.
What are the key properties of 4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine?
4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 327.44 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 52874103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).